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双(μ-硫代氨基脲-κ²,:;κ² : ,)双[(二甲基甲酰胺-κ)(硫代氨基脲-κ² ,)镉(II)]四(2,4,6-三硝基苯酚盐):合成、晶体结构和 Hirshfeld 表面分析

Bis(μ-thio-semicarbazide-κ ,:;κ : ,)bis-[(di-methyl-formamide-κ)(thio-semicarbazide-κ ,)cadmium(II)] tetra-kis-(2,4,6-tri-nitro-phen-olate): synthesis, crystal structure and Hirshfeld surface analysis.

作者信息

Santhakumari R, Ramamurthi K, Kaur Manpreet, Jasinski Jerry P, Sagadevan Suresh, Stoeckli-Evans Helen

机构信息

PG & Research Department of Physics, Kalaignar Karunanidhi Government Arts College for Women (Autonomous), Kalaignar Karunanidhi Government Arts College for Women (Autonomous), Pudukkottai-622001, Tamilnadu, India.

Former Professor, Crystal Growth and Thin Film Laboratory, Bharathidasan University, Tiruchirappalli-620024, Tamilnadu, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 May 13;81(Pt 6):505-509. doi: 10.1107/S2056989025003974. eCollection 2025 Jun 1.

DOI:10.1107/S2056989025003974
PMID:40487695
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12142421/
Abstract

In the title complex salt, Cd(CHNO)(CHNS), (), the binuclear cation is located about a crystallographic center of symmetry. The asymmetric unit of the complex cation is composed of two bidentate thio-semicarbazide ligands and one mol-ecule of di-methyl-formamide coordinated to a cadmium(II) atom. The S atom of one of the thio-semicarbazide ligands bridges the cadmium atoms about the inversion center. The positive charge of the complex is balanced by picrate anions. In the crystal, the cation is linked to the picrate anions by side-by-side bifurcated N-H⋯(O,O) hydrogen bonds in which the central O atom acts as a double acceptor for two such bonds, enclosing (6) and (6) ring motifs. In the crystal, further N-H⋯O hydrogen bonds link the various units to form slabs lying parallel to the (001) plane and the slabs are linked by C-H⋯O hydrogen bonds, thereby forming a three-dimensional network.

摘要

在标题配合物盐Cd(CHNO)(CHNS)()中,双核阳离子位于一个晶体学对称中心周围。配合物阳离子的不对称单元由两个双齿硫代氨基脲配体和一个与镉(II)原子配位的二甲基甲酰胺分子组成。其中一个硫代氨基脲配体的S原子围绕反演中心桥连镉原子。配合物的正电荷由苦味酸盐阴离子平衡。在晶体中,阳离子通过并排的分叉N-H⋯(O,O)氢键与苦味酸盐阴离子相连,其中中心O原子作为两个此类键的双受体,形成(6)和(6)环 motif。在晶体中,进一步的N-H⋯O氢键将各个单元连接形成平行于(001)平面的层板,这些层板通过C-H⋯O氢键相连,从而形成三维网络。

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